[PDF] Computational Approaches To Materials Design eBook

Author : Datta, Shubhabrata
Publisher : IGI Global
Page : 492 pages
File Size : 33,39 MB
Release : 2016-06-16
Category : Technology & Engineering
ISBN : 1522502912

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The development of new and superior materials is beneficial within industrial settings, as well as a topic of academic interest. By using computational modeling techniques, the probable application and performance of these materials can be easily evaluated. Computational Approaches to Materials Design: Theoretical and Practical Aspects brings together empirical research, theoretical concepts, and the various approaches in the design and discovery of new materials. Highlighting optimization tools and soft computing methods, this publication is a comprehensive collection for researchers, both in academia and in industrial settings, and practitioners who are interested in the application of computational techniques in the field of materials engineering.

Author : Shubhabrata Datta
Publisher : CRC Press
Page : 185 pages
File Size : 41,11 MB
Release : 2016-10-26
Category : Mathematics
ISBN : 1482238330

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Several statistical techniques are used for the design of materials through extraction of knowledge from existing data banks. These approaches are getting more attention with the application of computational intelligence techniques. This book illustrates the alternative but effective methods of designing materials, where models are developed through capturing the inherent correlations among the variables on the basis of available imprecise knowledge in the form of rules or database, as well as through the extraction of knowledge from experimental or industrial database, and using optimization tools.

Author : Richard Catlow
Publisher : John Wiley & Sons
Page : 423 pages
File Size : 19,68 MB
Release : 2013-04-03
Category : Science
ISBN : 1118551443

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The development of materials for clean and efficient energy generation and storage is one of the most rapidly developing, multi-disciplinary areas of contemporary science, driven primarily by concerns over global warming, diminishing fossil-fuel reserves, the need for energy security, and increasing consumer demand for portable electronics. Computational methods are now an integral and indispensable part of the materials characterisation and development process. Computational Approaches to Energy Materials presents a detailed survey of current computational techniques for the development and optimization of energy materials, outlining their strengths, limitations, and future applications. The review of techniques includes current methodologies based on electronic structure, interatomic potential and hybrid methods. The methodological components are integrated into a comprehensive survey of applications, addressing the major themes in energy research. Topics covered include: • Introduction to computational methods and approaches • Modelling materials for energy generation applications: solar energy and nuclear energy • Modelling materials for storage applications: batteries and hydrogen • Modelling materials for energy conversion applications: fuel cells, heterogeneous catalysis and solid-state lighting • Nanostructures for energy applications This full colour text is an accessible introduction for newcomers to the field, and a valuable reference source for experienced researchers working on computational techniques and their application to energy materials.

Author : Dongwon Shin
Publisher : Springer
Page : 239 pages
File Size : 10,77 MB
Release : 2017-11-10
Category : Technology & Engineering
ISBN : 3319682806

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This book provides state-of-the-art computational approaches for accelerating materials discovery, synthesis, and processing using thermodynamics and kinetics. The authors deliver an overview of current practical computational tools for materials design in the field. They describe ways to integrate thermodynamics and kinetics and how the two can supplement each other.

Author : Tetsuya Saito
Publisher : Nelson Thornes
Page : 310 pages
File Size : 24,15 MB
Release : 1999-07-23
Category : Computers
ISBN : 9783540643777

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This book consists of ten chapters which outline a wide range of technologies from first-principle calculations to continuum mechanics, with applications to materials design and development. Written with a clear exposition, this book will be invaluable for engineers who want to learn about the modern technologies and techniques utilized in materials design.

Author : Wofram Hergert
Publisher : Springer Science & Business Media
Page : 346 pages
File Size : 45,97 MB
Release : 2004-04-29
Category : Science
ISBN : 9783540210511

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Computational Physics is now a discipline in its own right, comparable with theoretical and experimental physics. Computational Materials Science concentrates on the calculation of materials properties starting from microscopic theories. It has become a powerful tool in industrial research for designing new materials, modifying materials properties and optimizing chemical processes. This book focusses on the application of computational methods in new fields of research, such as nanotechnology, spintronics and photonics, which will provide the foundation for important technological advances in the future. Methods such as electronic structure calculations, molecular dynamics simulations and beyond are presented, the discussion extending from the basics to the latest applications.

Author : Richard LeSar
Publisher : Cambridge University Press
Page : 429 pages
File Size : 44,55 MB
Release : 2013-03-28
Category : Technology & Engineering
ISBN : 1107328144

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Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package. Modelling is examined at a broad range of scales, from the atomic to the mesoscale, providing students with a solid foundation for future study and research. Detailed, accessible explanations of the fundamental equations underpinning materials modelling are presented, including a full chapter summarising essential mathematical background. Extensive appendices, including essential background on classical and quantum mechanics, electrostatics, statistical thermodynamics and linear elasticity, provide the background necessary to fully engage with the fundamentals of computational modelling. Exercises, worked examples, computer codes and discussions of practical implementations methods are all provided online giving students the hands-on experience they need.

Author : Artem Oganov
Publisher : Royal Society of Chemistry
Page : 470 pages
File Size : 26,99 MB
Release : 2018-10-30
Category : Science
ISBN : 1782629610

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A unique and timely book providing an overview of both the methodologies and applications of computational materials design.

Author : National Research Council
Publisher : National Academies Press
Page : 152 pages
File Size : 43,86 MB
Release : 2008-10-24
Category : Technology & Engineering
ISBN : 0309119995

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Integrated computational materials engineering (ICME) is an emerging discipline that can accelerate materials development and unify design and manufacturing. Developing ICME is a grand challenge that could provide significant economic benefit. To help develop a strategy for development of this new technology area, DOE and DoD asked the NRC to explore its benefits and promises, including the benefits of a comprehensive ICME capability; to establish a strategy for development and maintenance of an ICME infrastructure, and to make recommendations about how best to meet these opportunities. This book provides a vision for ICME, a review of case studies and lessons learned, an analysis of technological barriers, and an evaluation of ways to overcome cultural and organizational challenges to develop the discipline.